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Application

Discovery Studio 1.0 Materials Studio 0.5546199867050742 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0768378278537126 Amorphous Cell 0.2973771702992242 Antibody 7.388252678241596E-4 Blends 0.005910602142593277 CASTEP 0.1570003694126339 CDOCKER 0.21130402659770964 CHARMm 0.3450314000738825 COMPASS 0.37384558551902475 COMPASS III 0.05541189508681197 COSMObase 0.0014776505356483192 COSMOconf 0.0025858884373845584 COSMOmic 3.694126339120798E-4 COSMOperm 3.694126339120798E-4 COSMOplex 0.0 COSMOquick 7.388252678241596E-4 COSMOtherm 0.04913188031030661 Catalyst 0.10712966383450313 Classical Simulations 1.0 Conformers 3.694126339120798E-4 Crystallization 0.0347247875877355 DFTB Plus 0.008865903213889916 DMol3 0.15921684521610638 DPD 0.0025858884373845584 Discover 0.004802364240857037 Forcite 0.4975988178795715 GULP 0.012560029553010712 LUDI 0.008496490579977835 LibDock 0.08127077946065756 LigandFit 0.008127077946065755 MCSS 0.0011082379017362395 MODELER 0.2615441448097525 MesoDyn 7.388252678241596E-4 Mesocite 0.005910602142593277 Mesoscale 0.007757665312153676 Morphology 0.014037680088659032 ONETEP 0.0011082379017362395 Polymorph 7.388252678241596E-4 QMERA 0.0 QSAR 3.694126339120798E-4 Quantum Mechanics 0.30291835980790544 Reflex 0.01994828223125231 Reflex Plus 0.0 Semi-empirical 0.011082379017362394 Sorption 0.048762467676394534 Synthia 7.388252678241596E-4 TURBOMOLE 3.694126339120798E-4 VAMP 0.0014776505356483192 Visualization 0.9911340967861101 X-Cell 3.694126339120798E-4 ZDOCK 0.05910602142593277

Year

2019 0.03901950975487744 2020 0.22811405702851426 2021 0.32266133066533265 2022 0.36668334167083544 2023 0.7243621810905453 2024 1.0 2025 0.8279139569784892 2026 0.20060030015007504 2027 0.0

Keywords

interaction 1.0 target 0.9606635071090047 between 0.40837282780410744 docking 0.35813586097946287 potential 0.27661927330173774 visualization 0.2541864139020537 analysis 0.2522906793048973 binding 0.21437598736176935 protein 0.11390205371248026 energy 0.09936808846761454 mechanism 0.0924170616113744 novel 0.06619273301737756 cell 0.065086887835703 activity 0.05260663507109005 drug 0.03617693522906793 stability 0.035703001579778834 experimental 0.02985781990521327 complex 0.02622432859399684 silico 0.016903633491311215 development 0.009478672985781991 effective 0.008688783570300158 including 0.008056872037914692 role 0.0067930489731437595 strong 0.0030015797788309636 well 0.0
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